Nanosystem accumulators of hydrogen: Quantum polycondensates of hydrogen biradicals in carbon nanotubes

Маслова, О. А.; Vazhenin, S. V.; Zhukovsky, T.M.; Zhukovsky, M.S.; Beznosyuk, S. А.

doi:10.1016/j.ijhydene.2010.06.132

Cited by 3 publications

(1 citation statement)

References 8 publications

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“…The analytical results presented in Section 3 are consistent, for instance, with recent results [50][51][52][53][54][55][56][57][58][59][60], those may be used in the further developments.…”

Section: Comparison Ofsupporting

confidence: 85%

On the Solid Hydrogen Intercalation in Multilayer Carbohydride-Like Graphane Nanostructures, Relevance to the Storage Applications

Nechaev¹

2011

JNanoR

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In this analytical review, some thermodynamic, physical and nanotechnological aspects of the graphene/graphane problem are considered (in a correlation), relevance to developing a much simpler and efficient method (in comparison with the megabar compression dynamic and static ones) of producing a high-density solid molecular hydrogen carrier. It is achieved by the hydrogen intercalation (at the cost of the hydrogen association energy) in closed multigraphane (carbohydride-like) nanostructures of the megabar strength properties. The limiting density value (0.7±0.2 g/cm3(H2)) of such intercalated high-purity reversible hydrogen carrier corresponds to a megabar compression. The “volumetric” hydrogen capacity is of 0.3±0.1 g/cm3(system), and the “gravimetric” one being ≥ 15 wt %( H2). Such a hydrogen storage nanotechnology can exceed and/or correspond to the known U.S. DOE requirements-targets on the hydrogen on-board storage for 2015 (www.eere.energy.gov /hydrogenandfuelcells), with respect to the hydrogen capacities (0.081 g/cm3(system), 9.0 wt %( H2)), safety, reversibility and purity.

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Section: Comparison Ofsupporting

confidence: 85%

On the Solid Hydrogen Intercalation in Multilayer Carbohydride-Like Graphane Nanostructures, Relevance to the Storage Applications

Nechaev¹

2011

JNanoR

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Convertible hydrogen biradicals storage by graphene nanosheets

Beznosyuk

Маслова

Zhukovsky

2016

International Journal of Hydrogen Energy

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Theory and Computer Simulation of Quantum NEMS Energy Storage in Materials

Beznosyuk

Zhukovsky

2015

Int. J. Nanosci.

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The theory of quantum relaxation of the nanoelectromechanical system (NEMS) energy storage in materials is taken under consideration. By using the method of quantum NEMS kinetics (NK) the relaxation NEMS energy storage in the form of limited planes (100) Fe 172 cube in fcc iron crystal was studied. For comparison, the calculation a similar structure atomic cluster Fe 172 was carried out by the molecular dynamics method (MD) for temperature T ¼ 293 K. Analysis of computer-related experiments have shown that the relaxation of the NEMS energy storage Fe 172 and the MD atomic cluster Fe 172 from an initial nonequilibrium state has signi¯cant di®erences both in the kinetics, and in a variety of structural transformations. It is shown that the iron MD cluster relaxation is insigni¯cant and its¯nal total binding energy per atom is 2 eV/at lower than the crystal one. The NK-method revealed that after relaxation there is a signi¯cant change in the shape and the pair radial distribution function of nuclei the NEMS energy storage. It signi¯cantly increases the binding energy up to 3.34 eV/at, which is only about 1 eV/at less than the binding energy of the crystalline iron. It is shown an opportunity to undergo a process of self-organization the NEMS energy storage through several intermediate metastable states. It is manifested that°uctuation rebuild the cube into a cuboid with a strong bending of the cube surfaces occurs at 20 ps of relaxation, and there is the second transformation being with trapezoid change of faces at 40 ps of relaxation process. This e®ect cardinally differentiates NK relaxation of the NEMS energy storage cube Fe 172 from MD relaxation of the atomic cluster Fe 172 in the crystalline iron.

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Nanosystem accumulators of hydrogen: Quantum polycondensates of hydrogen biradicals in carbon nanotubes

Cited by 3 publications

References 8 publications

On the Solid Hydrogen Intercalation in Multilayer Carbohydride-Like Graphane Nanostructures, Relevance to the Storage Applications

On the Solid Hydrogen Intercalation in Multilayer Carbohydride-Like Graphane Nanostructures, Relevance to the Storage Applications

Convertible hydrogen biradicals storage by graphene nanosheets

Theory and Computer Simulation of Quantum NEMS Energy Storage in Materials

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